element(s):
['Al', 'Co', 'Cr']
AFLOW prototype label:
AB2C_cF16_225_a_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8556']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co', 'Cr']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8556, 0, 0], [0, 5.8556, 0], [0, 0, 5.8556]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:11:48     -196.162728         7.798929
BFGS:    1 17:11:48     -197.296176         7.307204
BFGS:    2 17:11:48     -198.352879         6.775265
BFGS:    3 17:11:49     -199.326625         6.200709
BFGS:    4 17:11:49     -200.210834         5.580998
BFGS:    5 17:11:49     -200.998532         4.913445
BFGS:    6 17:11:50     -201.684361         4.212196
BFGS:    7 17:11:50     -202.259015         3.440665
BFGS:    8 17:11:51     -202.713984         2.615399
BFGS:    9 17:11:51     -203.040430         1.726891
BFGS:   10 17:11:52     -203.229753         0.790197
BFGS:   11 17:11:52     -203.276145         0.065163
BFGS:   12 17:11:52     -203.276450         0.001743
BFGS:   13 17:11:53     -203.276451         0.000004
BFGS:   14 17:11:53     -203.276451         0.000000
Minimization converged after 14 steps.
Maximum force component: 6.974419030323601e-30 eV/Angstrom
Maximum stress component: 1.7996724823186676e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [4.83696682e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.6583209408210555, -4.7097695588519595e-32, -7.410075336421394e-33], [-4.595489281551047e-32, 5.6583209408210555, -1.0069720059070982e-17], [-3.2849930853713263e-32, -1.0069720059070953e-17, 5.6583209408210555]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.53437219e-30 -3.71969015e-31  1.73198073e-30]
 [-6.66928820e-31  2.48754279e-30 -3.23148082e-30]
 [ 4.99833364e-31  1.48787606e-30  6.97441903e-30]
 [-4.55662043e-30 -2.78976761e-31 -1.48787606e-30]
 [ 2.41779860e-30 -3.99866691e-30  5.11457396e-30]
 [ 2.32480634e-32 -1.25539543e-30 -2.41779860e-30]
 [-5.57953522e-31  6.97441903e-31 -6.11133468e-30]
 [-1.03744483e-30 -1.95283733e-30  3.90567466e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.79967248e-11 -1.79967248e-11 -1.79967248e-11 -9.29126405e-29
 -1.41383640e-60  2.34938598e-59]
energy per atom =  -12.704778167479617
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0